Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5100)
Drug Name
Chlordiazepoxide
Synonyms
Abboxide; Balance; Chloradiazepoxide; Chlordiazachel; Chlordiazepoxid; Chlordiazepoxidum; Chlordiazepoxydum; Chloridazepoxide; Chloridiazepide; Chloridiazepoxide; Chlorodiazepoxide; Chlozepid; Clopoxide; Clordiazepossido; Clordiazepoxido; Control; Decacil; Disarim; Eden; Elenium; Helogaphen; Ifibrium; Kalmocaps; Librelease; Librinin; Libritabs; Librium; Lygen; Menrium; Mesural; Methaminodiazepoxide; Mildmen; Multum; Napoton; Napton; Psicosan; Radepur; Risolid; Silibrin; Sonimen; Tropium; Viopsicol; Zeisin; Zetran; Chlordiazepoxide Base; Clordiazepossido [Italian]; A-Poxide; Apo-Chlordiazepoxide; Balance (pharmaceutical); Chlordiazepoxidum [INN-Latin]; Clordiazepoxido [INN-Spanish]; Eden-psich; Libritabs (TN); Librium (TN); MENRIUM 10-4; MENRIUM 5-4; Novapam (TN); Novo-Poxide; Tropium (TN); Chlordiazepoxide (JP15/USP/INN); Chlordiazepoxide [USAN:INN:BAN:JAN]; 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl, 4-oxide; 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-, 4-oxide; 3H-1,4-Benzodiazepine, 7-chloro-2-(methylamino)-5-phenyl-, 4-oxide; 3H-1,4-benzodiazepin-2-amine,7-chloro-N-methyl-5-phenyl-,4-oxide; 7-Chlor-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxid; 7-Chlor-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxid [German]; 7-Chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepine 4-oxide; 7-Chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide; 7-Cloro-2-metilamino-5-fenil-3H-1,4-benzodiazepina 4-ossido; 7-Cloro-2-metilamino-5-fenil-3H-1,4-benzodiazepina 4-ossido [Italian]; 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine
Indication Anxiety disorder [ICD11: 6B00-6B0Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 299.75 Topological Polar Surface Area 48.2
Heavy Atom Count 21 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
2712
ChEBI ID
CHEBI:3611
CAS Number
58-25-3
TTD Drug ID
D06BEP
Formula
C16H14ClN3O
Canonical SMILES
CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O
InChI
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3
InChIKey
BUCORZSTKDOEKQ-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Demoxepam DM018861 N. A. Unclear - Unclear 1 [3]
Desmethyldiazepam DM000834
2997
Unclear - Unclear 1 [4]
Oxazepam DM003073
4616
Unclear - Unclear 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011243 Chlordiazepoxide Desmethyldiazepam Unclear - Unclear Unclear [4]
MR011244 Chlordiazepoxide Oxazepam Unclear - Unclear Unclear [5]
MR011245 Chlordiazepoxide Demoxepam Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3370).
2 DrugBank(Pharmacology-Metabolism):Chlordiazepoxide
3 Pharmacokinetics of chlordiazepoxide and metabolites following single and multiple oral doses
4 Postmortem Brain and Blood Reference Concentrations of Alprazolam, Bromazepam, Chlordiazepoxide, Diazepam, and their Metabolites and a Review of the Literature
5 Biological half-life of chlordiazepoxide and its metabolite, demoxepam, in man

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